Basic information
- CAS
53924-12-2- Standard SMILES
O=C(O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C(c1ccccc1)c1ccccc1- InChIKey
QHNVJRFWGOYONQ-UHFFFAOYSA-N- Molecular formula
- C29H23NO3
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.1677936
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)-5-(phenylmethoxy)-
- IUPAC
- 3-benzhydryl-5-phenylmethoxy-1H-indole-2-carboxylic acid
- English name
- 3-Diphenylmethyl-5-benzyloxy-1H-indole-2-carboxylic acid
- Molecular formula
- C29H23NO3
- Molecular weight
- 433.5
Names & synonyms
53924-12-2BRN 04592471H-INDOLE-2-CARBOXYLIC ACID, 3-(DIPHENYLMETHYL)-5-(PHENYLMETHOXY)-3-(Diphenylmethyl)-5-(phenylmethoxy)-1H-indole-2-carboxylic acidDTXSID702022115-22-05-00366 (Beilstein Handbook Reference)RefChem:238967DTXCID701247023-Diphenylmethyl-5-benzyloxy-1H-indole-2-carboxylic acid5-(benzyloxy)-3-(diphenylmethyl)-1H-indole-2-carboxylic acidDB-315356
Database identifiers
- CAS
53924-12-2- PubChem CID
- 40931
- DTXSID
DTXSID70202211- Nikkaji
- J62.661I
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Boiling point
- 656 · 656.0±55.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…